SCHEMBL21477574

SCHEMBL21477574

CC(C)c1cc2ncncc2cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.43
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
IMPDH2 P12268 1/20 0.33
FGFR4 P22455 1/20 0.32
TDO2 P48775 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2611072 0.85 EGFR (0.43) EGFRPIK3CDPIK3CAIMPDH2FGFR4
SCHEMBL12410898 0.74 EGFR (0.44) EGFRPIK3CDPIK3CAIMPDH2FGFR4
SCHEMBL14643819 0.74 EGFR (0.47) EGFRPIK3CDPIK3CAIMPDH2FGFR4
SCHEMBL24996530 0.73 EGFR (0.33) EGFR
SCHEMBL23421556 0.73 EGFR (0.40) EGFRPIK3CDPIK3CAIMPDH2FGFR4
SCHEMBL12938132 0.73 NOS3 (0.34)
SCHEMBL2611071 0.72 EGFR (0.55) EGFRPIK3CDPIK3CAIMPDH2FGFR4
SCHEMBL12703010 0.72 NPC1 (0.50)
SCHEMBL21477604 0.72 GRM4 (0.31)
SCHEMBL8874014 0.71 EGFR (0.58) EGFRPIK3CDPIK3CAIMPDH2FGFR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
EP-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 EP disclosed
EP-3553056-B1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2021-02-17 EP disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 EGFR 308/4885PIK3CD 275/4885PIK3CA 214/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 EGFR 294/4885PIK3CD 269/4885PIK3CA 216/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 EGFR 3041/4885PIK3CD 1732/4885PIK3CA 1884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.